{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.028785 0.970608 0.258872 ] [ 0.493081 0.53256 0.253709 ] [ 0.502337 0.471455 0.748367 ] [ 0.991368 0.973096 0.746449 ] [ 0.999601 0.498784 0.00677 ] [ 0.999384 0.497076 0.490405 ] [ 0.500974 0.004148 0.013155 ] [ 0.498094 0.003088 0.495177 ] [ 0.931044 0.474979 0.248996 ] [ 0.218172 0.783826 0.04643 ] [ 0.209356 0.784752 0.450846 ] [ 0.287975 0.289934 0.026833 ] [ 0.28706 0.295407 0.472837 ] [ 0.584957 0.997812 0.247047 ] [ 0.422573 0.001669 0.749695 ] [ 0.713728 0.715965 0.53309 ] [ 0.716613 0.720714 0.964632 ] [ 0.775534 0.230349 0.548999 ] [ 0.772597 0.229432 0.948452 ] [ 0.066766 0.524344 0.74924 ] ] } "species" { "source-value" [ "Li" "La" "La" "La" "Ti" "Ti" "Ti" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.52255341 "source-unit" "angstrom" } "b" { "source-value" 5.54122927 "source-unit" "angstrom" } "c" { "source-value" 7.83695758 "source-unit" "angstrom" } "alpha" { "source-value" 90.09188229 "source-unit" "degree" } "beta" { "source-value" 90.0534074 "source-unit" "degree" } "gamma" { "source-value" 90.33767476 "source-unit" "degree" } }